CID 13705202

Dibenz(b,f)(1,4)oxazepine-10(11h)-carbothiamide

Structural Information

Molecular Formula
C14H12N2OS
SMILES
C1C2=CC=CC=C2OC3=CC=CC=C3N1C(=S)N
InChI
InChI=1S/C14H12N2OS/c15-14(18)16-9-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)16/h1-8H,9H2,(H2,15,18)
InChIKey
CUCZNTNHQSKNNB-UHFFFAOYSA-N
Compound name
6H-benzo[b][1,4]benzoxazepine-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06705 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 154.2
[M+Na]+ 279.05627 161.2
[M-H]- 255.05977 159.7
[M+NH4]+ 274.10087 169.8
[M+K]+ 295.03021 161.8
[M+H-H2O]+ 239.06431 148.4
[M+HCOO]- 301.06525 167.8
[M+CH3COO]- 315.08090 165.4
[M+Na-2H]- 277.04172 159.6
[M]+ 256.06650 151.5
[M]- 256.06760 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.